1-(4-chloro-3-nitrophenyl)-3-(4-fluorophenyl)urea

1-(4-chloro-3-nitrophenyl)-3-(4-fluorophenyl)urea

CAS: 897326-30-6

Formula: C13H9ClFN3O3

SMILES: [O-][N+](=O)C1=CC(NC(=O)NC2=CC=C(F)C=C2)=CC=C1Cl

IUPAC: 1-(4-chloro-3-nitrophenyl)-3-(4-fluorophenyl)urea

InChI: InChI=1S/C13H9ClFN3O3/c14-11-6-5-10(7-12(11)18(20)21)17-13(19)16-9-3-1-8(15)2-4-9/h1-7H,(H2,16,17,19)

Composition: C (50.42%), H (2.93%), Cl (11.45%), F (6.13%), N (13.57%), O (15.50%)

Molar Mass: 309.68

Atom Count: 30

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	309.031647
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	DWVIOMKFHSRQQM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.39
Topological Polar Surface Area	84.27
Polarizability	27.69
Ring Count	2
Rotatable Bond Count	3

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